smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000019324262 212014997 /nfs/dbraw/zinc/01/49/97/212014997.db2.gz NEVIELUTPGBCJW-PKTZIBPZSA-N 1 1 349.522 4.512 50 10 EJCAMO CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCC[N@H+]32)cc1 ZINC000019324262 212014999 /nfs/dbraw/zinc/01/49/99/212014999.db2.gz NEVIELUTPGBCJW-PKTZIBPZSA-N 1 1 349.522 4.512 50 10 EJCAMO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000014949234 563767716 /nfs/dbraw/zinc/76/77/16/563767716.db2.gz MEIAQQFRUJWHHT-LJQANCHMSA-N 1 1 345.442 4.640 50 10 EJCAMO Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000004748005 210269505 /nfs/dbraw/zinc/26/95/05/210269505.db2.gz SXHJVLIIIZRJRK-UHFFFAOYSA-N 1 1 348.849 4.555 50 10 EJCAMO Cc1cccc(N2CC[N@H+](Cc3c(O)ccc4ccccc43)C[C@@H]2C)c1 ZINC000023486629 563866948 /nfs/dbraw/zinc/86/69/48/563866948.db2.gz QYWCDPIJNLVKNP-SFHVURJKSA-N 1 1 346.474 4.565 50 10 EJCAMO Cc1cccc(N2CC[N@H+](Cc3c(O)ccc4ccccc43)C[C@H]2C)c1 ZINC000012547048 564058954 /nfs/dbraw/zinc/05/89/54/564058954.db2.gz QYWCDPIJNLVKNP-GOSISDBHSA-N 1 1 346.474 4.565 50 10 EJCAMO COc1cccc(O)c1C[N@@H+](Cc1cccnc1)C1CCCCCC1 ZINC000055109429 214275051 /nfs/dbraw/zinc/27/50/51/214275051.db2.gz FEMQHRDBWVBOSH-UHFFFAOYSA-N 1 1 340.467 4.521 50 10 EJCAMO CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCC[N@H+]23)cc1 ZINC000019324632 212017172 /nfs/dbraw/zinc/01/71/72/212017172.db2.gz NEVIELUTPGBCJW-XZOQPEGZSA-N 1 1 349.522 4.512 50 10 EJCAMO CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC000019324632 212017174 /nfs/dbraw/zinc/01/71/74/212017174.db2.gz NEVIELUTPGBCJW-XZOQPEGZSA-N 1 1 349.522 4.512 50 10 EJCAMO COc1ccc([C@H]2CCC[N@H+]2Cc2c(O)ccc3ccccc32)cc1 ZINC000016359739 563809226 /nfs/dbraw/zinc/80/92/26/563809226.db2.gz XOIPTCAGDHENIA-OAQYLSRUSA-N 1 1 333.431 4.891 50 10 EJCAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000033087299 563915153 /nfs/dbraw/zinc/91/51/53/563915153.db2.gz OIOKZZVVQKBMBO-LJQANCHMSA-N 1 1 341.451 4.527 50 10 EJCAMO Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000000090263 563976516 /nfs/dbraw/zinc/97/65/16/563976516.db2.gz FBNHHAHGTWTLHG-UHFFFAOYSA-N 1 1 344.886 4.662 50 10 EJCAMO C[N@@H+](Cc1csc2ccccc12)Cc1c(O)ccc2ccncc21 ZINC000083867704 564064040 /nfs/dbraw/zinc/06/40/40/564064040.db2.gz BZDQWUZZIZHMCG-UHFFFAOYSA-N 1 1 334.444 4.787 50 10 EJCAMO Cc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1C(C)C ZINC000084077002 564066219 /nfs/dbraw/zinc/06/62/19/564066219.db2.gz FTXIGJPRYUEMAT-JTSKRJEESA-N 1 1 339.479 4.786 50 10 EJCAMO NC1=CC(=O)C(C(=O)Nc2ccccc2)=CC1=[NH+]Nc1ccccc1 ZINC000004107485 210122190 /nfs/dbraw/zinc/12/21/90/210122190.db2.gz UBDCIFKBHRLPGZ-GHVJWSGMSA-N 1 1 332.363 4.642 50 10 EJCAMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc2cccnc21 ZINC000040155680 213274273 /nfs/dbraw/zinc/27/42/73/213274273.db2.gz MPEZYNGAMVAKRH-UHFFFAOYSA-N 1 1 333.479 4.711 50 10 EJCAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)cc1C ZINC000037523158 202345767 /nfs/dbraw/zinc/34/57/67/202345767.db2.gz IDZCJQLZDYJBLG-QHCPKHFHSA-N 1 1 346.474 4.806 50 10 EJCAMO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000015866946 563798294 /nfs/dbraw/zinc/79/82/94/563798294.db2.gz SYDQHDKSQFCSTK-IBGZPJMESA-N 1 1 341.499 4.729 50 10 EJCAMO CC(C)n1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21 ZINC000002464943 564118232 /nfs/dbraw/zinc/11/82/32/564118232.db2.gz IMGXUTQGBNBBIE-UHFFFAOYSA-N 1 1 344.256 4.992 50 10 EJCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3c3cccs3)c2c1 ZINC000008230187 564163670 /nfs/dbraw/zinc/16/36/70/564163670.db2.gz XSUILUGUNUPERI-SFHVURJKSA-N 1 1 339.460 4.953 50 10 EJCAMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc(C)c2O)s1 ZINC000055042486 214266346 /nfs/dbraw/zinc/26/63/46/214266346.db2.gz XDWQKOIECXZTNP-UHFFFAOYSA-N 1 1 338.476 4.668 50 10 EJCAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2cccc(OC)c2O)cc1 ZINC000033087298 202249066 /nfs/dbraw/zinc/24/90/66/202249066.db2.gz OIOKZZVVQKBMBO-IBGZPJMESA-N 1 1 341.451 4.527 50 10 EJCAMO CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000019319080 212015816 /nfs/dbraw/zinc/01/58/16/212015816.db2.gz NEVIELUTPGBCJW-DHIUTWEWSA-N 1 1 349.522 4.512 50 10 EJCAMO CN(C)c1ccc([C@@H]2N(Cc3ccccc3)CC[C@H]3CCCC[N@H+]32)cc1 ZINC000019319080 212015821 /nfs/dbraw/zinc/01/58/21/212015821.db2.gz NEVIELUTPGBCJW-DHIUTWEWSA-N 1 1 349.522 4.512 50 10 EJCAMO CN(C)c1ccc(/C=C/C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000213367 563261498 /nfs/dbraw/zinc/26/14/98/563261498.db2.gz IDTPQVAYSUERLR-ONEGZZNKSA-N 1 1 336.454 4.694 50 10 EJCAMO CCN(CC)c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000000277403 563271088 /nfs/dbraw/zinc/27/10/88/563271088.db2.gz JFDUNNTVXUDHSF-UHFFFAOYSA-N 1 1 338.470 4.961 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)cc2)c1O ZINC000033087294 563915140 /nfs/dbraw/zinc/91/51/40/563915140.db2.gz KCEHGGLANZJRFF-LJQANCHMSA-N 1 1 325.452 4.827 50 10 EJCAMO Clc1ccc(N2CC[NH+](C3=Cc4ccccc4C3)CC2)cc1Cl ZINC000063567713 563955593 /nfs/dbraw/zinc/95/55/93/563955593.db2.gz FQIWPYONXVKPHQ-UHFFFAOYSA-N 1 1 345.273 4.713 50 10 EJCAMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1C(C)C ZINC000063126092 564056559 /nfs/dbraw/zinc/05/65/59/564056559.db2.gz FTXIGJPRYUEMAT-VGSWGCGISA-N 1 1 339.479 4.786 50 10 EJCAMO COc1ccc(C[N@@H+](Cc2c(O)ccc3ccccc32)C2CC2)cc1 ZINC000008148308 564163213 /nfs/dbraw/zinc/16/32/13/564163213.db2.gz LMVGCUYSAPFRQG-UHFFFAOYSA-N 1 1 333.431 4.719 50 10 EJCAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000014949237 563767660 /nfs/dbraw/zinc/76/76/60/563767660.db2.gz MEIAQQFRUJWHHT-IBGZPJMESA-N 1 1 345.442 4.640 50 10 EJCAMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1C(C)C ZINC000107342343 564026890 /nfs/dbraw/zinc/02/68/90/564026890.db2.gz FTXIGJPRYUEMAT-HTAPYJJXSA-N 1 1 339.479 4.786 50 10 EJCAMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3sccc3C)c2c1 ZINC000007734491 564122377 /nfs/dbraw/zinc/12/23/77/564122377.db2.gz LEJJWKHJNUUWKN-UHFFFAOYSA-N 1 1 327.449 4.556 50 10 EJCAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2O)cc1 ZINC000036347280 213085912 /nfs/dbraw/zinc/08/59/12/213085912.db2.gz QHJSSEGANQZPEI-HSZRJFAPSA-N 1 1 346.474 4.806 50 10 EJCAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2O)cc1 ZINC000036347281 213085034 /nfs/dbraw/zinc/08/50/34/213085034.db2.gz QHJSSEGANQZPEI-QHCPKHFHSA-N 1 1 346.474 4.806 50 10 EJCAMO CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC000019331823 212016830 /nfs/dbraw/zinc/01/68/30/212016830.db2.gz NEVIELUTPGBCJW-GOTSBHOMSA-N 1 1 349.522 4.512 50 10 EJCAMO CN(C)c1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCC[N@H+]32)cc1 ZINC000019331823 212016833 /nfs/dbraw/zinc/01/68/33/212016833.db2.gz NEVIELUTPGBCJW-GOTSBHOMSA-N 1 1 349.522 4.512 50 10 EJCAMO CCOc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c1O ZINC000033087242 563914941 /nfs/dbraw/zinc/91/49/41/563914941.db2.gz NCXDVPPJAOYUQV-MRXNPFEDSA-N 1 1 331.481 4.970 50 10 EJCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)cc1 ZINC000064984508 563957538 /nfs/dbraw/zinc/95/75/38/563957538.db2.gz ZWVWQJATFACEDX-FQEVSTJZSA-N 1 1 341.499 4.981 50 10 EJCAMO O=C1c2ccccc2-c2c1c(C[NH+]1CCCCC1)c(O)c1ccccc21 ZINC000000012151 563211447 /nfs/dbraw/zinc/21/14/47/563211447.db2.gz CHAKERCCFYVUAD-UHFFFAOYSA-N 1 1 343.426 4.743 50 10 EJCAMO Cc1cc[nH+]c(N[C@@H](c2cccs2)c2ccc3cccnc3c2O)c1 ZINC000013062711 563686909 /nfs/dbraw/zinc/68/69/09/563686909.db2.gz DGZVJIWHPPXOQV-LJQANCHMSA-N 1 1 347.443 4.907 50 10 EJCAMO Oc1ccc(-c2cccnc2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000014985074 563770456 /nfs/dbraw/zinc/77/04/56/563770456.db2.gz NZYPNVCFHYLEDS-UHFFFAOYSA-N 1 1 342.442 4.744 50 10 EJCAMO C[C@H](c1ccccc1O)[N@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000089909759 564115198 /nfs/dbraw/zinc/11/51/98/564115198.db2.gz KVTWOQVWJLYOHE-CYBMUJFWSA-N 1 1 342.439 4.848 50 10 EJCAMO C[C@H](c1ccccc1O)[N@@H+](C)Cc1csc(-c2ccccc2F)n1 ZINC000089909759 564115199 /nfs/dbraw/zinc/11/51/99/564115199.db2.gz KVTWOQVWJLYOHE-CYBMUJFWSA-N 1 1 342.439 4.848 50 10 EJCAMO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)C1CCCC1 ZINC000040019913 213251244 /nfs/dbraw/zinc/25/12/44/213251244.db2.gz JUHWEVJKJRVAGZ-UHFFFAOYSA-N 1 1 334.257 4.682 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)c1O ZINC000033087305 563915107 /nfs/dbraw/zinc/91/51/07/563915107.db2.gz HUPLMWKFWCQQKN-INIZCTEOSA-N 1 1 331.481 4.888 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2cccc(C)c2)c1O ZINC000033087297 563915165 /nfs/dbraw/zinc/91/51/65/563915165.db2.gz CGFIFZMKNIUEJG-IBGZPJMESA-N 1 1 325.452 4.827 50 10 EJCAMO CC[NH+](CC)Cc1c2c(ccc1O)oc(C)c2C(=O)c1ccccc1 ZINC000000478522 564013178 /nfs/dbraw/zinc/01/31/78/564013178.db2.gz WRTCTQJWYZCZMD-UHFFFAOYSA-N 1 1 337.419 4.520 50 10 EJCAMO CC1CC[NH+](Cc2c3c(C(=O)c4ccccc4)coc3ccc2O)CC1 ZINC000000217576 564125191 /nfs/dbraw/zinc/12/51/91/564125191.db2.gz TXPXMHLEOZROKN-UHFFFAOYSA-N 1 1 349.430 4.601 50 10 EJCAMO CC(C)n1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000095453776 218397154 /nfs/dbraw/zinc/39/71/54/218397154.db2.gz SNIRQSVXQQUDJE-UHFFFAOYSA-N 1 1 327.472 4.505 50 10 EJCAMO Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCc2ccccc2C1 ZINC000299794591 258099352 /nfs/dbraw/zinc/09/93/52/258099352.db2.gz KGTDCAQOTMOPFU-UHFFFAOYSA-N 1 1 333.406 4.757 50 10 EJCAMO COc1ccc(N2C=C(C)C3=S2N(c2ccccc2)[NH+]=C3C)cc1 ZINC000017118462 563837221 /nfs/dbraw/zinc/83/72/21/563837221.db2.gz KZXBAQNMFWLSST-UHFFFAOYSA-N 1 1 337.448 4.586 50 10 EJCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3c3cccs3)c2c1 ZINC000008230183 564163688 /nfs/dbraw/zinc/16/36/88/564163688.db2.gz XSUILUGUNUPERI-GOSISDBHSA-N 1 1 339.460 4.953 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)c1O ZINC000033087306 202249623 /nfs/dbraw/zinc/24/96/23/202249623.db2.gz QOGDYJZYVNHOPC-GOSISDBHSA-N 1 1 329.415 4.657 50 10 EJCAMO Oc1ccc2ccccc2c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000000212370 563917122 /nfs/dbraw/zinc/91/71/22/563917122.db2.gz ANAOTOZSYVLZNW-UHFFFAOYSA-N 1 1 333.406 4.974 50 10 EJCAMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)cc1 ZINC000064984507 563957471 /nfs/dbraw/zinc/95/74/71/563957471.db2.gz ZWVWQJATFACEDX-HXUWFJFHSA-N 1 1 341.499 4.981 50 10 EJCAMO Cc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1C(C)C ZINC000107342341 564026885 /nfs/dbraw/zinc/02/68/85/564026885.db2.gz FTXIGJPRYUEMAT-VGOFRKELSA-N 1 1 339.479 4.786 50 10 EJCAMO Oc1c(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392581 564165025 /nfs/dbraw/zinc/16/50/25/564165025.db2.gz XBTNJFMNSLNQLH-GFCCVEGCSA-N 1 1 343.776 4.973 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)c1O ZINC000033087303 202249885 /nfs/dbraw/zinc/24/98/85/202249885.db2.gz ITKWUUNDOCAKOH-INIZCTEOSA-N 1 1 331.481 4.888 50 10 EJCAMO CSc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)cc1 ZINC000032751478 563724409 /nfs/dbraw/zinc/72/44/09/563724409.db2.gz QYQIDRAPCXLPGA-UHFFFAOYSA-N 1 1 345.508 4.749 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)c1O ZINC000033087302 563915054 /nfs/dbraw/zinc/91/50/54/563915054.db2.gz ITKWUUNDOCAKOH-MRXNPFEDSA-N 1 1 331.481 4.888 50 10 EJCAMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccccc3Cl)c2c1 ZINC000058160810 563938403 /nfs/dbraw/zinc/93/84/03/563938403.db2.gz HEFDFJKDLDGGMK-UHFFFAOYSA-N 1 1 341.838 4.839 50 10 EJCAMO CC[N@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC000048333324 564031113 /nfs/dbraw/zinc/03/11/13/564031113.db2.gz MEDSEIVZAHLREE-UHFFFAOYSA-N 1 1 331.529 4.529 50 10 EJCAMO CC[N@@H+](Cc1csc(C(C)(C)C)n1)Cc1ccc(N(C)C)cc1 ZINC000048333324 564031114 /nfs/dbraw/zinc/03/11/14/564031114.db2.gz MEDSEIVZAHLREE-UHFFFAOYSA-N 1 1 331.529 4.529 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccc(C)c2)c1O ZINC000033087296 202249790 /nfs/dbraw/zinc/24/97/90/202249790.db2.gz CGFIFZMKNIUEJG-LJQANCHMSA-N 1 1 325.452 4.827 50 10 EJCAMO S=C(NNc1c2ccccc2[nH+]c2ccccc21)Nc1ccccc1 ZINC000004750889 210271055 /nfs/dbraw/zinc/27/10/55/210271055.db2.gz UWXHRQNQOPTLLV-UHFFFAOYSA-N 1 1 344.443 4.702 50 10 EJCAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3ccccc32)cc1 ZINC000016359738 563809306 /nfs/dbraw/zinc/80/93/06/563809306.db2.gz XOIPTCAGDHENIA-NRFANRHFSA-N 1 1 333.431 4.891 50 10 EJCAMO CCCn1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21 ZINC000002464942 564118237 /nfs/dbraw/zinc/11/82/37/564118237.db2.gz PYKOYYUURIKOOL-UHFFFAOYSA-N 1 1 344.256 4.821 50 10 EJCAMO C[N@@H+](Cc1nc2ccccc2s1)Cc1c(O)ccc2ccccc21 ZINC000057553824 564154921 /nfs/dbraw/zinc/15/49/21/564154921.db2.gz AEUWKLCRKDVZPP-UHFFFAOYSA-N 1 1 334.444 4.787 50 10 EJCAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c(O)ccc2ccccc21 ZINC000003396971 210026979 /nfs/dbraw/zinc/02/69/79/210026979.db2.gz GBVPQVWQNCEGSC-UHFFFAOYSA-N 1 1 341.838 4.710 50 10 EJCAMO CCCn1c[nH+]c2cc(NCc3cccc(Br)c3)ccc21 ZINC000001062214 563372191 /nfs/dbraw/zinc/37/21/91/563372191.db2.gz UVKKCFOOKJQLDD-UHFFFAOYSA-N 1 1 344.256 4.821 50 10 EJCAMO COc1ccc(C[N@@H+](C)Cc2cc(C(C)C)c(C)cc2O)cc1F ZINC000012800707 563673687 /nfs/dbraw/zinc/67/36/87/563673687.db2.gz KAZMJCPUTSBAEP-UHFFFAOYSA-N 1 1 331.431 4.604 50 10 EJCAMO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(N(CC)CC)cc1 ZINC000015866945 563798241 /nfs/dbraw/zinc/79/82/41/563798241.db2.gz SYDQHDKSQFCSTK-LJQANCHMSA-N 1 1 341.499 4.729 50 10 EJCAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)c1O ZINC000033087304 563915129 /nfs/dbraw/zinc/91/51/29/563915129.db2.gz HUPLMWKFWCQQKN-MRXNPFEDSA-N 1 1 331.481 4.888 50 10 EJCAMO Oc1c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc(Cl)c2ccccc12 ZINC000008392578 564165015 /nfs/dbraw/zinc/16/50/15/564165015.db2.gz XBTNJFMNSLNQLH-LBPRGKRZSA-N 1 1 343.776 4.973 50 10 EJCAMO Cc1cc(O)c(C[N@H+](C)[C@H](c2ccccc2)c2ccccn2)cc1C ZINC000067710132 564166360 /nfs/dbraw/zinc/16/63/60/564166360.db2.gz SVJIXSWQGMZVIJ-JOCHJYFZSA-N 1 1 332.447 4.625 50 10 EJCAMO CC(C)(C)n1cc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)cn1 ZINC000095453777 218397698 /nfs/dbraw/zinc/39/76/98/218397698.db2.gz IXJQOYWFPHCKEH-UHFFFAOYSA-N 1 1 341.499 4.679 50 10 EJCAMO Cc1cc[nH+]c(N[C@H](c2cccs2)c2ccc3cccnc3c2O)c1 ZINC000013062712 563686840 /nfs/dbraw/zinc/68/68/40/563686840.db2.gz DGZVJIWHPPXOQV-IBGZPJMESA-N 1 1 347.443 4.907 50 10 EJCAMO CCOc1cccc(C[N@H+]2CCCCC[C@H]2c2cccs2)c1O ZINC000033087243 563914993 /nfs/dbraw/zinc/91/49/93/563914993.db2.gz NCXDVPPJAOYUQV-INIZCTEOSA-N 1 1 331.481 4.970 50 10 EJCAMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc2c(cc1O)CCC2 ZINC000006209192 564082945 /nfs/dbraw/zinc/08/29/45/564082945.db2.gz PGUIFIAHWMTTMY-UHFFFAOYSA-N 1 1 335.369 4.532 50 10 EJCAMO Cc1cc(O)c(C[N@H+](C)[C@@H](c2ccccc2)c2ccccn2)cc1C ZINC000067710131 564166376 /nfs/dbraw/zinc/16/63/76/564166376.db2.gz SVJIXSWQGMZVIJ-QFIPXVFZSA-N 1 1 332.447 4.625 50 10 EJCAMO COc1ccc(N2C=C3CCCC4=[NH+]N(c5ccccc5)S2=C34)cc1 ZINC000005720506 564177554 /nfs/dbraw/zinc/17/75/54/564177554.db2.gz YDZAAHDEUWFOOG-UHFFFAOYSA-N 1 1 349.459 4.731 50 10 EJCAMO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1c(O)ccc2ccccc21 ZINC000003397133 210026886 /nfs/dbraw/zinc/02/68/86/210026886.db2.gz USXGYMSYHCTUIR-UHFFFAOYSA-N 1 1 343.373 4.779 50 10 EJCAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)cc1C ZINC000037523157 213153718 /nfs/dbraw/zinc/15/37/18/213153718.db2.gz 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